2-methyl-4-propan-2-yliminopent-2-en-3-amine

C9H18N2 — CID 162681966

IUPAC2-methyl-4-propan-2-yliminopent-2-en-3-amine
SMILESCC(C)=C(N)/C(C)=N/C(C)C
InChIInChI=1S/C9H18N2/c1-6(2)9(10)8(5)11-7(3)4/h7H,10H2,1-5H3/b11-8+
InChIKeyCGTQFLRDTKGGJJ-DHZHZOJOSA-N
MW154.26 g/mol
LogP2.11
Rot. Bonds2

About 2-methyl-4-propan-2-yliminopent-2-en-3-amine

2-methyl-4-propan-2-yliminopent-2-en-3-amine (PubChem CID 162681966) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-methyl-4-propan-2-yliminopent-2-en-3-amine.

Molecular Properties

Compound Name2-methyl-4-propan-2-yliminopent-2-en-3-amine
PubChem CID162681966
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2-methyl-4-propan-2-yliminopent-2-en-3-amine
SMILESCC(C)=C(N)/C(C)=N/C(C)C
InChIInChI=1S/C9H18N2/c1-6(2)9(10)8(5)11-7(3)4/h7H,10H2,1-5H3/b11-8+
InChIKeyCGTQFLRDTKGGJJ-DHZHZOJOSA-N
XLogP2.11
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-methyl-4-methyliminopent-2-en-2-amine
CID 59104563
3-Methyl-4-methyliminopent-2-en-2-amine
CID 72517933
(Z)-N,3-dimethyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine
CID 90213447
2-Methyl-4-pentan-2-yliminopent-2-en-3-amine
CID 123336491
(E)-3-methyl-2-N-(3-methylbut-3-en-2-ylidene)pent-2-ene-1,2-diimine
CID 123601744
(E)-4-N-ethylidene-3-methylpent-3-ene-2,4-diimine
CID 123915040
3,4-dimethyl-N-propan-2-ylpent-3-en-2-imine
CID 124006658
4-methyl-3-N-(2-methylbutylidene)pent-3-ene-2,3-diimine
CID 126599283
(Z)-3-methyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine
CID 126613749
3-methyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine
CID 126613750
(Z)-4-ethylimino-3-methylpent-2-en-2-amine
CID 132246404
(E)-4-propan-2-yliminopent-2-en-3-amine
CID 134465211

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-propan-2-yliminopent-2-en-3-amine?
The IUPAC name of 2-methyl-4-propan-2-yliminopent-2-en-3-amine (CID 162681966) is 2-methyl-4-propan-2-yliminopent-2-en-3-amine.
What is the SMILES notation for 2-methyl-4-propan-2-yliminopent-2-en-3-amine?
The canonical SMILES for 2-methyl-4-propan-2-yliminopent-2-en-3-amine is CC(C)=C(N)/C(C)=N/C(C)C.
What is the InChIKey of 2-methyl-4-propan-2-yliminopent-2-en-3-amine?
The InChIKey is CGTQFLRDTKGGJJ-DHZHZOJOSA-N. The full InChI is InChI=1S/C9H18N2/c1-6(2)9(10)8(5)11-7(3)4/h7H,10H2,1-5H3/b11-8+.
What are the key properties of 2-methyl-4-propan-2-yliminopent-2-en-3-amine?
2-methyl-4-propan-2-yliminopent-2-en-3-amine has a molecular weight of 154.26 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-propan-2-yliminopent-2-en-3-amine is sourced from PubChem (CID 162681966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).